ピーク情報
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イネ 玄米 コシヒカリ
pos
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| Peak #3440 MN MID: SE199_S11_M90 |
| m/z: 339.10751, RT: 47.21, 強度: 11526, ログ強度: 0.63, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 4 |
| DB検索結果: (12 names) Veranisatin B;Ferulic acid 4-glucoside;1-O-Feruloyl-beta-D-glucopyranose;1-O-Feruloyl-beta-D-glucose;1-O-2'-Hydroxy-4'-methoxycinnamoyl-b-D-glucose;Juglanoside D;(-)-Juglanoside D;1-O-Feruloylglucose;... |
| DBごとのヒット数: ALL 10 KG 2 KN 5 HM 3 |
| FlavonoidSearch最大スコア MS2: 0.091, MS3: 0.062 |
DB検索結果
ppm
| 組成式 | 分子量 | 誤差(Δppm） | 候補化合物名（代表で最短名を記載） | 化合物ID |
|---|---|---|---|---|
| C16H20O9 | 356.11073 | 0.195 | Veranisatin B | HMDB: HMDB0040664 KNApSAcK: C00044375 |
| C16H20O9 | 356.11073 | 0.195 | Ferulic acid 4-O-beta-glucopyranoside | HMDB: HMDB0301717 KNApSAcK: C00011171, C00037143 |
| C16H20O9 | 356.11073 | 0.195 | 1-O-Feruloyl-beta-D-glucopyranose | HMDB: HMDB0302092 KNApSAcK: C00032613 |
| C16H20O9 | 356.11073 | 0.195 | 1-O-Feruloyl-beta-D-glucose | HMDB: HMDB0302219 |
| C16H20O9 | 356.11073 | 0.195 | 1-O-2'-Hydroxy-4'-methoxycinnamoyl-b-D-glucose | HMDB: HMDB0040866 |
| C16H20O9 | 356.11073 | 0.195 | Juglanoside D | KNApSAcK: C00031928 |
| C16H20O9 | 356.11073 | 0.195 | 1-O-Feruloyl-beta-D-glucose | HMDB: HMDB0036938, HMDB0301952 KEGG: C17759 KNApSAcK: C00037931 |
| C16H20O9 | 356.11073 | 0.195 | Juglanoside E | KNApSAcK: C00031929 |
| C16H20O9 | 356.11073 | 0.195 | Gentiopicroside | HMDB: HMDB0252696 KEGG: C09782 KNApSAcK: C00003082 LipidMAPS: LMPR0102070009 |
| C17H16O5N4 | 356.11207 | -3.561 | N-(2,4-Dinitrophenyl)-5-methoxytryptamine | HMDB: HMDB0254997 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 339.10696 |
| Splash: splash10-004i-0900000000-b1583843f7f7988384ec |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 177.02 | 47673 | 162 | 1000 |
| 321.10 | 3948 | 18 | 82 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.091 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavanone | Citflavanone |
| 0.091 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavanone | Paratocarpin K |
| 0.091 | [2'-Hydroxychalcone]-A(3OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Mallotus A |
| 0.071 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | 2'-Hydroxychalcone | 3,4,2'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']chalcone |
| 0.067 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | 4-Hydroxyderricin |
| 0.067 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Bavachalcone |
| 0.067 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Isoxanthohumol(Helichrysum) |
| 0.067 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | 2',4'-Dihydroxy-6'-methoxy-3'-prenylchalcone |
| 0.063 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none) | Flavanone | 5-Methoxy-7-hydroxy-8-C-prenylflavanone |
| 0.063 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none) | Flavanone | Tephrinone |
| 0.063 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none) | Flavanone | 5-Hydroxy-7-methoxy-6-C-prenylflavanone |
| 0.063 | [Flavanone]-A(1OMe, 1(C-Prenyl))-B(1OH) | Flavanone | 4'-Hydroxyisoderricin |
| 0.063 | [Flavanone]-A(1OMe, 1(C-Prenyl))-B(1OH) | Flavanone | Bavachinin |
| 0.059 | [Flavone]-A(2OH)-B(1OH, 1(C-Prenyl)) | Flavone | Yinyanghuo D |
| 0.059 | [Flavone]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavone | 5,7,4'-Trihydroxy-6-prenylflavone |
| 0.059 | [Flavone]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavone | Licoflavone C |
| 0.059 | [Chalcone]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Chalcone | Licochalcone C |
| 0.056 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH) | Isoflavone | Wighteone |
| 0.056 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH) | Isoflavone | Lupiwighteone |
| 0.056 | [Isoflavone]-A(2OH)-B(1OH, 1(C-Prenyl)) | Isoflavone | Isowighteone |
| 0.043 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(none) | Flavonol | 3,5,7-Trihydroxy-8-prenylflavone |
| 0.043 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(none) | Flavonol | 3,5,7-Trihydroxy-6-prenylflavone |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OMe, 1(C-Prenyl)) | Pterocarpan | Sandwicensin |
| 0.000 | [Auronol (2-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Auronol | Castillene D |
| 0.000 | [Chalcone]-A(1OH)-B(1OH, 1OMe, 1(1,1-Dimethylallyl)) | Chalcone | Licochalcone A |
| 0.000 | [Chalcone]-A(1OH, 1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Chalcone | 5'-Hydroxy-2'-methoxy-3,4-methylenedioxyfurano[2'',3'':4',3']chalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OMe, 1Oxo, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | beta-Hydroxy(or Oxodihydro)chalcone | Ovalitenone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | beta-Hydroxy(or Oxodihydro)chalcone | Glyinflanin B |
| 0.000 | [Dihydrochalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Dihydrochalcone | Crotaramin |
| 0.000 | [Flavanone]-A(1OMe, 1(2-Hydroxy-1,1-dimethylallyl))-B(none) | Flavanone | Falciformin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(none) | Flavanone | 6-C-Prenyl-8-C-methylpinocembrin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(none) | Flavanone | 5,7-Dihydroxy-6-methyl-8-prenylflavanone |
| 0.000 | [Flavanone]-A(2OH, 1(4-Oxoprenyl))-B(none) | Flavanone | 5,7-Dihydroxy-8-C-(4-oxoprenyl)flavanone |
| 0.000 | [Flavonol]-A(2OH, 1(1,1-Dimethylallyl))-B(none) | Flavonol | 8-(1,1-Dimethylallyl)galangin |
| 0.000 | [Flavan 4-ol]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none) | Flavan 4-ol | Hildgardtol A |
| 0.000 | [Flavan 4-ol]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavan 4-ol | Hildgardtol B |
| 0.000 | [Flavan]-A(2OMe, 1(C-Prenyl))-B(none) | Flavan | 5,7-Dimethoxy-8-prenylflavan |
| 0.000 | [CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin]-A(1OH)-B(1OH) | CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin | 5-Carboxypyranopelargonidin |
| 0.000 | [Isoflavone]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano))) | Isoflavone | Psoralenol |
| 0.000 | [Isoflavone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH) | Isoflavone | 6-(1,1-Dimethylallyl)genistein |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | Isoflavone | Crotalarin |
| 0.000 | [Isoflavanone]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavanone | Neotenone |
| 0.000 | [Isoflavan]-A(1OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavan | 2'-O-Methylphaseollinisoflavan |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Isoflavan | 4'-O-Methylglabridin |
| 0.000 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Ficinin |
| 0.000 | [Pterocarpan]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH) | Pterocarpan | Apiocarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH) | Pterocarpan-6a-ol | Glyceollin III |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Pterocarpan-6a-ol | Glyceollin I |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Pterocarpan-6a-ol | Glyceollin II |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan-6a-ol | Tuberosin |
| 0.000 | [2-Phenylbenzofuran]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | 2-Phenylbenzofuran | Neoraufurane |
| Level: 3, プリカーサーm/z: 177.01892 |
| Splash: splash10-0006-0900000000-ff1da6c8fd4722bf4baf |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 144.96 | 29603 | 32 | 1000 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 321.10394 |
| Splash: splash10-004i-0900000000-078b3e3c3aa104c1b9fd |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 177.08 | 1066 | 144 | 1000 |
| 109.00 | 175 | 212 | 164 |
| 145.10 | 79 | 176 | 74 |
| 126.97 | 54 | 194 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.063 | [Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Isoflavone | Erythrinin A |
| 0.000 | [Isoflavone]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Corylin |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavone | 5-Hydroxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavone |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(3OH) | Dihydroflavonol | 3,5,7,3',4',5'-Hexahydroxyflavanone |
| 0.000 | [Flavan 3-ol]-A(2OH, 1OMe)-B(2OH) | Flavan 3-ol | 3,5,7,3',4'-Pentahydroxy-6-methoxyflavan |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(2OH, 1OMe) | Flavan 3-ol | Gallocatechin 4'-methyl ether |
| 0.000 | [Auronol]-A(2OH)-B(3OH) | Auronol | Amaronol A |
| 0.000 | [alpha-Hydroxychalcone]-A(4OH)-B(2OH) | alpha-Hydroxychalcone | 3,4,2',3',4',6',alpha-Heptahydroxychalcone |
| 0.000 | [Dihydrochalcone beta-ol]-A(2OH)-B(2OH, 1OMe) | Dihydrochalcone beta-ol | Gliricidol |
| 0.000 | [3-substituted Flavanone (3-Methyl)]-A(2OH, 1Cl)-B(1OH) | 3-substituted Flavanone | 8-Chloro-5,7,4'-trihydroxy-3-C-methylflavanone |
| 0.000 | [Flavan 3,4-diol]-A(1OH, 1OMe)-B(2OH) | Flavan 3,4-diol | Mesquitol-4alpha-ol 8-methyl ether |
| 0.000 | [Flavan 3,4-diol]-A(2OH)-B(1OH, 1OMe) | Flavan 3,4-diol | Catechin-4-ol 3'-methyl ether |
| 0.000 | [Flav-3-ene]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none) | Flav-3-ene | Hildgardtene |
| 0.000 | [Pterocarpene]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpene | Anhydrotuberosin |
| 0.000 | [Coumestan]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Coumestan | Erosnin |
関連ピーク情報
| ピーク番号 | 保持時間 (min) | m/z | m/z差分 | ログ強度 | アダクト | DB検索結果 | ヒット数 | MSn | FS2 | FS3 | N原子数 | S原子数 | 共有数 |
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